[Wien] SRC_mixer files

Paresh Chandra Rout pareshchandra at iiserb.ac.in
Sat Sep 24 17:24:08 CEST 2016


Hello Sir,

I also tried with the new mixer but did not improve anything. I started
with a fresh directory but in headnode of  HPC with k-point paralleisation
(i.e sequentialy) and it works fine.

On Sat, Sep 24, 2016 at 7:47 PM, Laurence Marks <L-marks at northwestern.edu>
wrote:

> Dear Lyudmila,
>
> From the output files the bug appears to be something real in the current
> web version of the mixer, as I cannot see anything catastrophically wrong
> in his output files. I am trying to track it down with Paresh, there is at
> least one thing odd with the HPC system he is using (it does not like the
> includes in W2kutils.c) so might well be a system/compiler specific issue.
>
> On Sat, Sep 24, 2016 at 9:11 AM, Lyudmila Dobysheva <lyuka17 at mail.ru>
> wrote:
>
>> 24.09.2016 00:31, Paresh Chandra Rout :
>>
>> I cannot find in your discussion some info:
>> 1) does error repeat in sequential (not parallel) mode?
>> 2) parallel over k-points (not mpi)?
>> 3) it is when one k-point? what happens when several is taken?
>> 4) put simply in terminal the task (not in a batch mode), what is written?
>> 5) are all error files empty?
>>
>> To check all this, start with a fresh directory.
>>
>> Best wishes
>>    Lyudmila Dobysheva
>> ------------------------------------------------------------------
>> Phys.-Techn. Institute of Ural Br. of Russian Ac. of Sci.
>> 426001 Izhevsk, ul.Kirova 132
>> RUSSIA
>> ------------------------------------------------------------------
>> Tel.:7(3412) 432045(office), 722529(Fax)
>> E-mail: lyu at ftiudm.ru, lyuka17 at mail.ru (office)
>>          lyuka17 at gmail.com (home)
>> Skype:  lyuka17 (home), lyuka18 (office)
>> https://urldefense.proofpoint.com/v2/url?u=http-3A__ftiudm.r
>> u_content_view_25_103_lang-2Cenglish_&d=CwICAg&c=yHlS04HhBra
>> es5BQ9ueu5zKhE7rtNXt_d012z2PA6ws&r=U_T4PL6jwANfAy4r
>> nxTj8IUxm818jnvqKFdqWLwmqg0&m=UZ9UJ2muO05WogtKK391VP9HujH52w
>> AZw4p4n-nxsQM&s=EzEsFdYDECiYJFzFAQ_jYYJcPV34Y-VdK_BBp4GCGVA&e=
>> ------------------------------------------------------------------
>> _______________________________________________
>> Wien mailing list
>> Wien at zeus.theochem.tuwien.ac.at
>> https://urldefense.proofpoint.com/v2/url?u=http-3A__zeus.the
>> ochem.tuwien.ac.at_mailman_listinfo_wien&d=CwICAg&c=yHlS04Hh
>> Braes5BQ9ueu5zKhE7rtNXt_d012z2PA6ws&r=U_T4PL6jwANfAy4r
>> nxTj8IUxm818jnvqKFdqWLwmqg0&m=UZ9UJ2muO05WogtKK391VP9HujH52w
>> AZw4p4n-nxsQM&s=20wrj37VlDWXxNP2MVjPs4VZ8pLwNqbqEgfqJbvWAxI&e=
>> SEARCH the MAILING-LIST at:  https://urldefense.proofpoint.
>> com/v2/url?u=http-3A__www.mail-2Darchive.com_wien-40zeus.
>> theochem.tuwien.ac.at_index.html&d=CwICAg&c=yHlS04HhBraes5
>> BQ9ueu5zKhE7rtNXt_d012z2PA6ws&r=U_T4PL6jwANfAy4rnxTj8IUxm818
>> jnvqKFdqWLwmqg0&m=UZ9UJ2muO05WogtKK391VP9HujH52wAZw4p4n-
>> nxsQM&s=Ln5jBr6t2pjIJJJRS5hcSNq7oA_F2N9xV3D6VdU_ng0&e=
>>
>
>
>
> --
> Professor Laurence Marks
> "Research is to see what everybody else has seen, and to think what nobody
> else has thought", Albert Szent-Gyorgi
> www.numis.northwestern.edu ; Corrosion in 4D:
> MURI4D.numis.northwestern.edu
> Partner of the CFW 100% program for gender equity, www.cfw.org/100-percent
> Co-Editor, Acta Cryst A
>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> SEARCH the MAILING-LIST at:  http://www.mail-archive.com/
> wien at zeus.theochem.tuwien.ac.at/index.html
>
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20160924/bafbade5/attachment.html>


More information about the Wien mailing list